Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure and Hirshfeld analysis of trans-bis-(5-fluoro-indoline-2,3-dione 3-oximato-κ2O2,N3)-trans-bis-(pyridine-κN)copper(II).

ABSTRACT: The reaction in methanol of CuII acetate monohydrate with 5-fluoro-isatin 3-oxime deprotonated with KOH in a 1:2 molar ratio and recrystallization from pyridine yielded the title compound, [Cu(C8H4FN2O2)2(C5H5N)2]. In the centrosymmetric complex, the anionic form of the isatin oxime acts as a κ2N,O donor, building five-membered metallarings. The CuII cation is sixfold coordinated in a slightly distorted octa-hedral environment by two trans, equatorial, anionic isatin derivatives and two trans pyridine ligands in axial positions. The complexes are linked by hydrogen bonding into a three-dimensional network, which is also stabilized by π-π stacking inter-actions [centroid-to-centroid distance = 3.7352 (9) Å] and C-H⋯π contacts. The Hirshfeld surface analysis indicates that the major contributions for the crystal packing are H⋯H (31.80%), H⋯C (24.30%), H⋯O (15.20%) and H⋯F (10.80%). This work is the second report in the literature of a crystal structure of a coordination compound with isatin 3-oxime ligands (coordination chemistry).

SUBMITTER: de Melo APL

PROVIDER: S-EPMC5946960 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Trans-bis-(3-tert-butyl-pyridine-κN)bis-(4-tert-butyl-pyridine-κN)bis-(thio-cyanato-κN)manganese(II).

Project description:The asymmetric unit of the title compound [Mn(NCS)(2)(C(9)H(13)N)(4)] consists of one Mn(II) cation located on a center of inversion, one thio-cyanato anion, one 3-tert-butyl-pyridine ligand and one 4-tert-butyl-pyridine ligand in general positions. The tert-butyl group of the 4-tert-butyl-pyridine ligand is disordered over two sets of sites in a 0.60:0.40 ratio. The Mn(II) cation is coordinated by six N atoms of four tert-butyl-pyridine ligands and two N-bonded thio-cyanato anions within a slightly distorted octa-hedral coordination environment.

| S-EPMC3515098 | biostudies-literature

Bis(?(2)-pyridine-2-carboxamide oximato)bis-[(pyridine-2-carboxamide oxime)zinc] dinitrate.

Project description:In the title dinuclear compound, [Zn(2)(C(6)H(6)N(3)O)(2)(C(6)H(7)N(3)O)(2)](NO(3))(2), the Zn(II) cation is N,N'-chelated by one pyridine-2-carboxamide oximate anion and one pyridine-2-carboxamide oxime mol-ecule, and is further bridged by an oxime O atom from the adjacent pyridine-2-carboxamide oximate anion, forming a distorted trigonal bipyramidal coordination. Two pyridine-2-carboxamide oximate anions bridge two Zn(II) cations to form the centrosymmetric dinuclear mol-ecule. Extensive O-H?O, N-H?O and O-H?N hydrogen bonds are present in the crystal structure.

| S-EPMC3200762 | biostudies-literature

Bis(3-methyl-pyridine-κN)bis-(thio-cyanato-κN)zinc.

Project description:The asymmetric unit of the title compound, [Zn(NCS)(2)(C(6)H(7)N)(2)], consists of one Zn(2+) cation and two thio-cyanate anions, all situated on special positions with site symmetry .m., and one 3-methyl-pyridine ligand. The zinc cation is coordinated by four N atoms of two terminal N-bonded thio-cyanate anions and of two symmetry-related 3-methyl-pyridine co-ligands, defining a slightly distorted tetra-hedral coordination polyhedron.

| S-EPMC3151950 | biostudies-literature

Bis(pyridine-κN)bis-[4,4,4-trifluoro-1-(4-fluoro-phen-yl)butane-1,3-dionato-κO,O']cobalt(II).

Project description:In the structure of the title compound, [Co(C(10)H(5)F(4)O(2))(2)(C(5)H(5)N)(2)], cobalt(II) forms a complex with two 4,4,4-trifluoro-1-(4-fluoro-phen-yl)butane-1,3-dionate anions and two pyridine mol-ecules in an octa-hedral coordination environment, where the two dionate ligands are in equatorial positions and the two pyridine mol-ecules in axial positions. The complex is located on a crystallographic inversion centre.

| S-EPMC2960175 | biostudies-literature

trans-Bis(1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato-κO,O')bis-(4-methyl-1,2,3-selenadiazole-κN)copper(II).

Project description:In the title compound, [Cu(C(5)HF(6)O(2))(2)(C(3)H(4)N(2)Se)(2)], the Cu(II) atom (site symmetry ) is coordinated by two O,O'-bidentate 1,1,1,5,5,5-hexa-fluoro-2,4-penta-nedione (hp) ligands and two 4-methyl-1,2,3-selenadiazole mol-ecules, resulting in a slightly distorted trans-CuN(2)O(4) octa-hedral geometry in which the cis angles deviate by less than 3° from 90°. The selenadiazole plane is canted at 73.13 (17)° to the square plane defined by the penta-nedionate O atoms. The F atoms of one of the hp ligands are disordered over two sets of sites in a 0.66 (3):0.34 (3) ratio. There are no significant inter-molecular inter-actions in the crystal.

| S-EPMC2979973 | biostudies-literature

5,6-Dichloro-2-(2-fluoro-phen-yl)iso-indoline-1,3-dione.

Project description:The crystal structure of the title compound, C(14)H(6)Cl(2)FNO(2), exhibits C-H?? and ?-? inter-actions, which generate C(3) chains in the [100] direction. The ?-? inter-action occurs between the aromatic rings of isoindoline units, with a centroid-centroid distance of 3.672?Å and an inter-planar separation of 3.528?Å. The isoindoline unit is planar and inclined at an angle of 58.63?(18)° to the substituent benzene ring. The F atom is disordered over two positions, with refined occupancies of 0.669?(3) and 0.331?(3).

| S-EPMC2961116 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)bis-(indoline-2,3-dione).

Project description:The mol-ecule of the title compound, C(18)H(12)N(2)O(4), is situated on a crystallographic centre of symmetry. The mol-ecule has a zigzag structure, with two parallel symmetry-related indoline-2,3-dione fragments linked by an ethyl-ene group at each N atom. In the crystal, the mol-ecules stack in columns along the b axis. There are two such columns in the structure. The mol-ecules within each column are parallel; however, the mol-ecules in the two columns differ in the respective orientation of the indoline-2,3-dione fragments. In one column, they are approximately parallel to (112), while in the other they are approximately parallel to (12). The inter-planar angle between the indoline-2,3-dione fragments in the two columns is 80.83?(3)°. The mol-ecules within each column are related by mutual displacement of their centres of symmetry, that is (0, ±1/2, ±1/2). The packing between the mol-ecules is provided by weak inter-actions only, viz. C-H?O hydrogen bonds and ?-? [centroid-centroid distance = 3.8745?(8)?Å] and C=O?? inter-actions.

| S-EPMC3006689 | biostudies-literature

Bis(dicyanamido-κN)bis-[2-(2-hydroxy-ethyl)pyridine-κN,O]nickel(II).

Project description:In the title complex, [Ni{N(CN)(2)}(2)(C(7)H(9)NO)(2)], the Ni(II) ion (site symmetry ) adopts a distorted trans-NiO(2)N(4) octa-hedral geometry. In the crystal, inter-molecular O-H⋯N hydrogen bonds link the mol-ecules, forming a chain along the c axis.

| S-EPMC2971932 | biostudies-literature

Bis(2-hydroxy-N'-isopropylidenebenzo-hydrazidato-κN',O)bis-(pyridine-κN)cobalt(II).

Project description:In the title complex, [Co(C(10)H(11)N(2)O(2))(2)(C(5)H(5)N)(2)], the Co(II) atom lies on a centre of symmetry and adopts a distorted cis-CoO(2)N(4) octa-hedral geometry. The two acetone salicyloylhydrazone ligands are deprotonated and act as N,O-bidentate monoanionic ligands, forming the equatorial plane, while the axial positions are occupied by two N atoms of two pyridine mol-ecules. The complex presents O-H⋯N and C-H⋯N intra-molecular hydrogen bonds. Inter-molecular C-H⋯N and C-H⋯O inter-actions are also present in the crystal.

| S-EPMC2968839 | biostudies-literature

cis-Bis(azido-κN)bis-(pyridine-2-carbox-amide-κN,O)nickel(II).

Project description:The title compound, [Ni(N(3))(2)(C(6)H(6)N(2)O)(2)], was obtained as the first crystalline product from the reaction of Ni(NO(3))(2)·6H(2)O, picolinamide and NaN(3) in aqueous media. After a few days in the mother liquor, crystals of the cis isomer transformed into the trans isomer [Đaković & Popović (2007 ▶). Acta Cryst. C63, m507-m509]. The Ni atom exhibits a distorted octa-hedral environment and contains two azide ions and two planar N,O-chelating picolinamide ligands, all cis related. The dihedral angle between the two chelate rings is 82.43 (7)°. Pairs of mol-ecules are linked by N-H⋯N hydrogen bonds into cyclic R(2) (2)(16) dimers, which are further packed into a three-dimensional framework by C(6) and C(8) chains by N-H⋯N hydrogen bonds.

| S-EPMC2960430 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data